The Journal of Chemical Physics, 2001, V 115, N 23, 15 December.
TE Chiral fluctuations in achiral systems
AU Robert A.Harris
PP 10577-10580
TE Projection-reduced close coupling calculations of cross sections
for vibrational relaxation in collisions of diatomic molecules with atoms
AU Roman V.Krems and Sture Nordholm
PP 10581-10584
TE Self-organized carbon nanostrips with a new LiC_{10} structure
derived from carbon nanotubes
AU Rachid Yazami, Heike Gabrisch, and Brent Fultz
PP 10585-10588
ARTICLES
TE Torsional barrier, ionization potential, and electron affinity
of biphenyl-A theoretical study
AU Sundaram Arulmozhiraja and Toshihiro Fujii
PP 10589-10594
TE Properties of atoms in molecules: Construction of one-density
matrix from functional group densities
AU J.Hernandez-Trujillo and R.F.W.Bader
PP 10595-10607
TE Phases and amplitudes of recurrences in autocorrelation function
by a simple classical trajectory method
AU Petra Zdanska and Nimrod Moiseyev
PP 10608-10620
TE An intermediate state representation approach to K-shell
ionization in molecules. I. Theory
AU J.Schirmer and A.Thiel
PP 10621-10635
TE Making use of Connolly's molecular surface program in the
isodensity adapted polarizable continuum model
AU Siegfried Hoefinger and Othmar Steinhauser
PP 10636-10646
TE Generation of full-dimensional potential energy surface of
intramolecular hydrogen atom transfer in malonaldehyde and
tunneling dynamics
AU Kiyoshi Yagi, Tetsuya Taketsugu, and Kimihiko Hirao
PP 10647-10655
TE Femtosecond probing of photodissociation dynamics in acyl cyanides
AU I-Ren Lee, Yu-Chieh Chung, Wei-Kan Chen, Xiu-Ping Hong, and Po-Yuan Cheng
PP 10656-10670
TE Electron-impact detachment and dissociation of C_{4}^{-} ions
AU A.Le Padellec, F.Rabilloud, D.Pegg, A.Neau, F.Hellberg,
R.Thomas, H.T.Schmidt, M.Larsson, H.Danared, A.Kaellberg,
K.Andersson, and D.Hanstorp
PP 10671-10677
TE Theoretical ab initio study of the water trimer anion: Ground
and excited state
AU Hsing-Yin Chen and Wen-Shyan Sheu
PP 10678-10684
TE Ab initio calculations of electric field effects on the g-tensor
of a nitroxide radical
AU Zhebo Ding, Andrea F.Gulla, and David E.Budil
PP 10685-10693
TE Isomers of SNO_{2}: Production and infrared spectra of cis- and
trans-OSNO from irradiated inert matrices containing OCS and NO_{2}
AU Mohammed Bahou and Yuan-Pern Lee
PP 10694-10700
TE A study of the C(^{1}D)+H_{2}-->CH+H reaction: Global potential
energy surface and quantum dynamics
AU B.Bussery-Honvault, P.Honvault, and J.-M.Launay
PP 10701-10708
TE The binding energies of p-difluorobenzene-Ar,-Kr measured by
velocity map imaging: Limitations of dispersed fluorescence in
determining binding energies
AU Susan M.Bellm, Rebecca J.Moulds, and Warren D.Lawrance
PP 10709-10717
TE Argon predissociation and electron autodetachment spectroscopy
of size-selected CH_{3}NO_{2}^{-}-Ar_{n} clusters
AU J.M.Weber, W.H.Robertson, and M.A.Johnson
PP 10718-10723
TE Postpulse alignment of molecules robust to thermal averaging
AU Mette Machholm
PP 10724-10730
TE An excess electron bound to urea oligomers. II. Chains and ribbons
AU Piotr Skurski and Jack Simons
PP 10731-10737
TE Electronic spectroscopy of jet-cooled vinyl radical
AU Michael B.Pushkarsky, Aaron M.Mann, Jake S.Yeston, and C.Bradley Moore
PP 10738-10744
TE Photodissociation dynamics of CF_{3}Br at 234 nm: An implication
of symmetry reduction during photodissociation
AU Tae Kyu Kim, Moon Soo Park, Keon Woo Lee, and Kyung-Hoon Jung
PP 10745-10752
TE Vibrational spectroscopy of shock-compressed nitromethane-d_{3}
AU Takamichi Kobayashi, Toshimori Sekine, and Hongliang He
PP 10753-10757
TE Quantum, intramolecular flexibility, and polarizability effects
on the reproduction of the density anomaly of liquid water by
simple potential functions
AU Michael W.Mahoney and William L.Jorgensen
PP 10758-10768
TE Quantitative characterization of intermolecular dipolar interactions of two-
component systems in solution nuclear magnetic resonance
AU Zhong Chen, Zhiwei Chen, and Jianhui Zhong
PP 10769-10779
TE The dielectric self-consistent field method. I. Highways,
byways, and illustrative results
AU Stefan Boresch and Othmar Steinhauser
PP 10780-10792
TE The dielectric self-consistent field method. II. Application to
the study of finite range effects
AU Stefan Boresch and Othmar Steinhauser
PP 10793-10807
TE Molecular dynamics simulations of Ca^{2+} in water: Comparison
of a classical simulation including three-body corrections and
Born-Oppenheimer ab initio and density functional theory quantum
mechanical/molecular mechanics simulations
AU Christian F.Schwenk, Hannes H.Loeffler, and Bernd M.Rode
PP 10808-10813
TE Coupling and orientation between anharmonic vibrations
characterized with two-dimensional infrared vibrational echo
spectroscopy
AU O.Golonzka, M.Khalil, N.Demirdoeven, and A.Tokmakoff
PP 10814-10828
TE The effect of carrier gas pressure and wall heating on the
operation of the thermal diffusion cloud chamber
AU Frank T.Ferguson, Richard H.Heist, and Joseph A.Nuth III
PP 10829-10836
TE New forcefield parameters for branched hydrocarbons
AU Shyamal K.Nath and Rajesh Khare
PP 10837-10844
TE Rotational dynamics of neutral red in dimethylsulfoxide: How
important is the solute's charge in causing "additional friction?"
AU G.B.Dutt, T.K.Ghanty, and M.K.Singh
PP 10845-10851
TE Molecular dynamics simulation of liquid N_{2}O_{4}<_->2NO_{2} by
orientation-sensitive pairwise potential. I. Chemical equilibrium
AU Toshiko Kato, Soichi Hayashi, and Katsunosuke Machida
PP 10852-10862
TE Radio-frequency-driven electron spin echo envelope modulation
spectroscopy on spin systems with isotropic hyperfine interactions
AU M.Kaelin and A.Schweiger
PP 10863-10875
TE Coherent anti-Stokes Raman scattering spectroscopy of solid
nitrogen to 22 GPa
AU Holger Hellwig, William B.Daniels, Russell J.Hemley,
Ho-kwang Mao, Eugene Gregoryanz, and Zuhe Yu
PP 10876-10882
TE Slow beta process in simple organic glass formers studied by one
and two-dimensional ^{2}H nuclear magnetic resonance. II.
Discussion of motional models
AU M.Vogel and E.Roessler
PP 10883-10891
TE Three-dimensional transmission coefficients for neutrons and
photons in amorphous materials
AU Salvador Godoy and Shigeji Fujita
PP 10892-10896
TE Probing interaction forces in colloidal monolayers: Inversion of
structural data
AU M.Quesada-Perez, A.Moncho-Jorda, F.Martinez-Lopez, and R.Hidalgo-Alvarez
PP 10897-10902
TE Aggregation-volume-bias Monte Carlo simulations of vapor-liquid
nucleation barriers for Lennard-Jonesium
AU Bin Chen, J.Ilja Siepmann, Kwang J.Oh, and Michael L.Klein
PP 10903-10913
TE Reaction of SO_{2} with pure and metal-doped MgO: Basic
principles for the cleavage of S-O bonds
AU J.A.Rodriguez, T.Jirsak, L.Gonzalez, J.Evans, M.Perez, and A.Maiti
PP 10914-10926
TE Subsurface impurities in Pd(111) studied by scanning tunneling
microscopy
AU M.K.Rose, A.Borg, T.Mitsui, D.F.Ogletree, and M.Salmeron
PP 10927-10934
TE On the local structure of Eu^{3+} ions in oxyfluoride glasses.
Comparison with fluoride and oxide glasses
AU V.Lavin, P.Babu, C.K.Jayasankar, I.R.Martin, and V.D.Rodriguez
PP 10935-10944
TE Cross-correlation functions in two-dimensional and
three-dimensional colloidal crystals
AU Yuichi N.Ohshima, Koushi E.Hatakeyam, Motoi Satake, Yumi Homma,
Ryosuke Washidzu, and Izumi Nishio
PP 10945-10954
TE Conformational disorder in long polyenes
AU Phillip Wood, Ifor D.W.Samuel, Richard Schrock, and Ronald L.Christensen
PP 10955-10963
TE The physical basis for the magnetic field dependence of proton
spin-lattice relaxation rates in proteins
AU Jean-Pierre Korb and Robert G.Bryant
PP 10964-10974
TE Polyelectrolyte-macroion complexation. II. Effect of chain
flexibility
AU Marie Jonsson and Per Linse
PP 10975-10985
TE A bending elasticity approach to the three-phase coexistence of
microemulsions
AU O.Lade and A.Krawietz
PP 10986-10997
TE The structure of a poly(ethylene oxide) melt from neutron
scattering and molecular dynamics simulations
AU B.K.Annis, Oleg Borodin, Grant D.Smith, C.J.Benmore, A.K.Soper,
and J.D.Londono
PP 10998-11003